CID 42442

2-methyl-2h-1-benzopyran-3-carbonitrile

Structural Information

Molecular Formula
C11H9NO
SMILES
CC1C(=CC2=CC=CC=C2O1)C#N
InChI
InChI=1S/C11H9NO/c1-8-10(7-12)6-9-4-2-3-5-11(9)13-8/h2-6,8H,1H3
InChIKey
SFTWTNJNZKFQLN-UHFFFAOYSA-N
Compound name
2-methyl-2H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 134.8
[M+Na]+ 194.05764 146.4
[M-H]- 170.06114 139.5
[M+NH4]+ 189.10224 153.4
[M+K]+ 210.03158 142.5
[M+H-H2O]+ 154.06568 122.8
[M+HCOO]- 216.06662 153.2
[M+CH3COO]- 230.08227 147.7
[M+Na-2H]- 192.04309 143.1
[M]+ 171.06787 130.5
[M]- 171.06897 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.